Structure and stacking-fault energy in metals Al, Pd, Pt, Ir, and Rh

J. Cai; F. Wang; C. Lu; Y. Y. Wang

doi:10.1103/PhysRevB.69.224104

Structure and stacking-fault energy in metals Al, Pd, Pt, Ir, and Rh

J. Cai^*
, F. Wang
, C. Lu
, Y. Y. Wang

^*此作品的通讯作者

科研成果: 期刊稿件 › 文章 › 同行评审

27 引用（Scopus）

摘要

The generalized stacking faults of Al, Pd, Pt, Ir, and Rh are investigated by a parametrized tight-binding potential. The stacking-fault energies (SFEs) are calculated to be in good agreement with experimental data, except for Al. More important, it is found that the SFE of Pt may be reduced by 14% by atom relaxation while the effect of atom relaxation on the SFEs of Al, Pd, Ir, and Rh are small. Thus, it is concluded that the effect of atom relaxation on SFE should be important, especially for an alloy system where radii difference between two constituting elements is large.

源语言	英语
文章编号	224104
页（从-至）	224104-1-224104-4
期刊	Physical Review B - Condensed Matter and Materials Physics
卷	69
期	22
DOI	https://doi.org/10.1103/PhysRevB.69.224104
出版状态	已出版 - 6月 2004
已对外发布	是

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abstract = "The generalized stacking faults of Al, Pd, Pt, Ir, and Rh are investigated by a parametrized tight-binding potential. The stacking-fault energies (SFEs) are calculated to be in good agreement with experimental data, except for Al. More important, it is found that the SFE of Pt may be reduced by 14\% by atom relaxation while the effect of atom relaxation on the SFEs of Al, Pd, Ir, and Rh are small. Thus, it is concluded that the effect of atom relaxation on SFE should be important, especially for an alloy system where radii difference between two constituting elements is large.",

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AU - Cai, J.

AU - Wang, F.

AU - Lu, C.

AU - Wang, Y. Y.

PY - 2004/6

Y1 - 2004/6

N2 - The generalized stacking faults of Al, Pd, Pt, Ir, and Rh are investigated by a parametrized tight-binding potential. The stacking-fault energies (SFEs) are calculated to be in good agreement with experimental data, except for Al. More important, it is found that the SFE of Pt may be reduced by 14% by atom relaxation while the effect of atom relaxation on the SFEs of Al, Pd, Ir, and Rh are small. Thus, it is concluded that the effect of atom relaxation on SFE should be important, especially for an alloy system where radii difference between two constituting elements is large.

AB - The generalized stacking faults of Al, Pd, Pt, Ir, and Rh are investigated by a parametrized tight-binding potential. The stacking-fault energies (SFEs) are calculated to be in good agreement with experimental data, except for Al. More important, it is found that the SFE of Pt may be reduced by 14% by atom relaxation while the effect of atom relaxation on the SFEs of Al, Pd, Ir, and Rh are small. Thus, it is concluded that the effect of atom relaxation on SFE should be important, especially for an alloy system where radii difference between two constituting elements is large.

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JF - Physical Review B - Condensed Matter and Materials Physics

IS - 22

M1 - 224104

ER -

Structure and stacking-fault energy in metals Al, Pd, Pt, Ir, and Rh

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